3-(oxolan-3-yl)hexanenitrile

C10H17NO — CID 142587151

IUPAC3-(oxolan-3-yl)hexanenitrile
SMILESCCCC(CC#N)C1CCOC1
InChIInChI=1S/C10H17NO/c1-2-3-9(4-6-11)10-5-7-12-8-10/h9-10H,2-5,7-8H2,1H3
InChIKeyFCODPYOWRDJULI-UHFFFAOYSA-N
MW167.25 g/mol
LogP2.35
Rot. Bonds4

About 3-(oxolan-3-yl)hexanenitrile

3-(oxolan-3-yl)hexanenitrile (PubChem CID 142587151) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 3-(oxolan-3-yl)hexanenitrile.

Molecular Properties

Compound Name3-(oxolan-3-yl)hexanenitrile
PubChem CID142587151
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name3-(oxolan-3-yl)hexanenitrile
SMILESCCCC(CC#N)C1CCOC1
InChIInChI=1S/C10H17NO/c1-2-3-9(4-6-11)10-5-7-12-8-10/h9-10H,2-5,7-8H2,1H3
InChIKeyFCODPYOWRDJULI-UHFFFAOYSA-N
XLogP2.35
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-((2-Ethylhexyl)oxy)propionitrile
CID 25053
Propanenitrile, 3-(isooctyloxy)-
CID 110086
3-(2-Methyloxolan-2-yl)propanenitrile
CID 14027492
3-(2,3,4-Trimethylhexoxy)propanenitrile
CID 59537054
4-Pentyloxolane-2-carbonitrile
CID 67817135
4-Methyl-3-(oxan-4-ylmethyl)pentanenitrile
CID 67965029
3-Methyl-4-(oxan-4-yl)butanenitrile
CID 67966073
4-Ethyloxolane-3-carbonitrile
CID 69229973
2-(Oxolan-3-yl)propanenitrile
CID 84064003
7-(2-Ethylhexoxy)heptanenitrile
CID 87626278
4-Methyl-3-(oxolan-3-yl)pentanenitrile
CID 89449472
3-(Oxolan-3-yl)butanenitrile
CID 89453043

Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-3-yl)hexanenitrile?
The IUPAC name of 3-(oxolan-3-yl)hexanenitrile (CID 142587151) is 3-(oxolan-3-yl)hexanenitrile.
What is the SMILES notation for 3-(oxolan-3-yl)hexanenitrile?
The canonical SMILES for 3-(oxolan-3-yl)hexanenitrile is CCCC(CC#N)C1CCOC1.
What is the InChIKey of 3-(oxolan-3-yl)hexanenitrile?
The InChIKey is FCODPYOWRDJULI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-2-3-9(4-6-11)10-5-7-12-8-10/h9-10H,2-5,7-8H2,1H3.
What are the key properties of 3-(oxolan-3-yl)hexanenitrile?
3-(oxolan-3-yl)hexanenitrile has a molecular weight of 167.25 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-3-yl)hexanenitrile is sourced from PubChem (CID 142587151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).